4-(azepan-1-ylsulfonyl)-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(1-tetrazolyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C20H22N6O3S/c27-20(22-17-7-9-18(10-8-17)26-15-21-23-24-26)16-5-11-19(12-6-16)30(28,29)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14H2,(H,22,27)